0 mol 7 unq 0 iso 0 dist 9.8603 15.8072 8.72114 16.6461 9.67164 5.5683 15.262 11.8172 6.02702 10.2465 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.51421 4.60206 5.99972 4.7739 5.99459 6.12483 7.81271 5.13353 9.68006 10.1349 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 9.91301 10.4489 7.18019 13.8883 9.01112 4.1204 16.9088 10.9495 7.03958 6.56356 numMergedOcc 0
3 mol 8 unq 1 iso 0 dist 9.91301 10.4489 7.18019 13.8883 9.01112 4.1204 7.46102 8.4069 8.53529 12.536 numMergedOcc 0
4 mol 8 unq 2 iso 0 dist 9.91301 10.4489 7.18019 13.8883 9.01112 4.1204 15.6504 6.23795 8.44009 7.62333 numMergedOcc 0
5 mol 9 unq 0 iso 0 dist 8.46229 9.93406 7.32257 3.96333 8.30653 10.6575 13.5235 6.14147 6.55811 13.3228 numMergedOcc 0
6 mol 9 unq 1 iso 0 dist 8.46229 9.93406 7.32257 3.96333 8.30653 10.6575 17.0546 10.5747 8.64915 16.2613 numMergedOcc 0
7 mol 24 unq 0 iso 0 dist 6.11056 11.095 8.60554 6.40447 8.09311 15.4445 14.2881 14.6259 8.4051 20.3516 numMergedOcc 0
8 mol 24 unq 1 iso 0 dist 6.11056 11.095 8.60554 6.40447 8.09311 15.4445 14.4535 10.0952 7.29868 16.0162 numMergedOcc 0
9 mol 24 unq 2 iso 0 dist 6.11056 11.095 8.60554 3.96014 9.05357 11.8971 14.2881 14.6259 8.4051 12.5061 numMergedOcc 0
10 mol 24 unq 3 iso 0 dist 6.11056 11.095 8.60554 3.96014 9.05357 11.8971 14.4535 10.0952 7.29868 16.8554 numMergedOcc 0
11 mol 24 unq 4 iso 0 dist 6.11056 6.66757 9.44691 6.40447 8.09311 13.0295 14.2881 14.6259 8.75662 20.3516 numMergedOcc 0
12 mol 24 unq 5 iso 0 dist 6.11056 6.66757 9.44691 3.96014 9.05357 4.02219 14.2881 14.6259 8.75662 12.5061 numMergedOcc 0
13 mol 25 unq 0 iso 0 dist 8.40051 4.32173 6.16347 6.29702 4.79873 5.46578 8.6396 10.9391 7.45383 12.3944 numMergedOcc 0
14 mol 25 unq 1 iso 0 dist 8.40051 4.32173 6.16347 13.591 9.48085 9.62058 8.6396 10.9391 7.45383 9.49421 numMergedOcc 0
15 mol 25 unq 2 iso 0 dist 8.40051 15.9662 7.92503 6.29702 4.79873 11.0175 17.3995 10.6808 8.6653 11.4732 numMergedOcc 0
16 mol 25 unq 3 iso 0 dist 8.40051 15.9662 7.92503 13.591 9.48085 10.2758 17.3995 10.6808 8.6653 17.8732 numMergedOcc 0
17 mol 25 unq 4 iso 0 dist 8.6396 4.32173 7.45383 10.0172 7.52933 11.0227 8.40051 10.9391 6.16347 16.4232 numMergedOcc 0
18 mol 25 unq 5 iso 0 dist 8.6396 4.32173 7.45383 5.23233 6.55597 4.98822 8.40051 10.9391 6.16347 11.037 numMergedOcc 0
19 mol 25 unq 6 iso 0 dist 8.6396 4.32173 7.45383 13.5673 9.71956 10.3547 8.40051 10.9391 6.16347 14.581 numMergedOcc 0
20 mol 25 unq 7 iso 0 dist 8.6396 4.32173 7.45383 10.4709 7.07751 7.91914 8.40051 10.9391 6.16347 13.0315 numMergedOcc 0
21 mol 25 unq 8 iso 0 dist 8.6396 4.32173 7.45383 12.2787 8.23761 11.7069 8.40051 10.9391 6.16347 17.2964 numMergedOcc 0
22 mol 25 unq 9 iso 0 dist 8.6396 4.32173 7.45383 13.591 9.49421 9.62058 8.40051 10.9391 6.16347 9.48085 numMergedOcc 0
23 mol 30 unq 0 iso 0 dist 8.609 5.73417 8.1284 3.65941 6.74179 4.98558 9.44073 5.34368 7.12365 6.07517 numMergedOcc 0
24 mol 58 unq 0 iso 0 dist 6.36193 4.37642 5.93884 4.99692 9.22598 5.66912 9.01612 5.30792 9.92355 13.3281 numMergedOcc 0
25 mol 58 unq 1 iso 0 dist 6.36193 4.37642 5.93884 4.99692 9.22598 5.66912 4.88613 4.81926 7.68678 8.96727 numMergedOcc 0
26 mol 58 unq 2 iso 0 dist 4.88613 4.37642 7.68678 4.99692 8.96727 5.66912 9.01612 5.35073 9.92355 13.3281 numMergedOcc 0
27 mol 58 unq 3 iso 0 dist 4.88613 4.37642 7.68678 4.99692 8.96727 5.66912 6.36193 4.81926 5.93884 9.22598 numMergedOcc 0
28 mol 58 unq 4 iso 0 dist 4.88613 4.37642 7.68678 3.70586 8.01308 5.76523 9.01612 5.35073 9.92355 11.5155 numMergedOcc 0
29 mol 58 unq 5 iso 0 dist 4.88613 4.37642 7.68678 3.70586 8.01308 5.76523 6.36193 4.81926 5.93884 9.55996 numMergedOcc 0
30 mol 62 unq 0 iso 0 dist 8.1599 7.46975 4.74544 5.46563 6.9103 4.09232 14.3699 8.62608 7.56205 9.69044 numMergedOcc 0
31 mol 85 unq 0 iso 0 dist 6.58793 3.88757 7.54568 6.97936 7.7068 4.93735 11.7434 10.1164 9.39864 11.2056 numMergedOcc 0
32 mol 119 unq 0 iso 0 dist 8.44385 4.01593 9.11344 5.92411 6.99446 5.37917 5.63005 4.85907 6.52773 7.64052 numMergedOcc 0
33 mol 119 unq 1 iso 0 dist 5.63005 4.01593 6.52773 5.92411 7.64052 5.37917 8.44385 4.85907 9.11344 6.99446 numMergedOcc 0
34 mol 181 unq 0 iso 0 dist 9.58911 12.0718 6.22122 17.3349 8.59874 6.39406 9.86845 6.01247 6.2479 9.76212 numMergedOcc 0
35 mol 181 unq 1 iso 0 dist 9.58911 12.0718 6.22122 17.3349 8.59874 6.39406 13.0329 12.6324 7.99195 13.2783 numMergedOcc 0
36 mol 195 unq 0 iso 0 dist 7.63036 7.14066 7.36683 3.58901 7.41662 8.90504 14.0513 10.7531 9.26504 16.1768 numMergedOcc 0
37 mol 259 unq 0 iso 0 dist 8.06771 5.61261 7.98231 9.0675 9.46361 4.10176 11.1503 6.96053 7.08526 6.95511 numMergedOcc 0
38 mol 259 unq 1 iso 0 dist 9.54857 8.74892 7.08526 5.49348 5.85442 4.47425 14.0139 6.96053 7.98231 10.3406 numMergedOcc 0
39 mol 259 unq 2 iso 0 dist 9.54857 8.74892 7.08526 5.13138 6.95511 4.10176 14.0139 6.96053 7.98231 9.46361 numMergedOcc 0
